(2'S,3S)-5-bromo-2'-(1,3-thiazolidine-3-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one

C14H13BrN2O2S — CID 15956434

IUPAC(2'S,3S)-5-bromo-2'-(1,3-thiazolidine-3-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C([C@H]1C[C@]12C(=O)Nc1ccc(Br)cc12)N1CCSC1
InChIInChI=1S/C14H13BrN2O2S/c15-8-1-2-11-9(5-8)14(13(19)16-11)6-10(14)12(18)17-3-4-20-7-17/h1-2,5,10H,3-4,6-7H2,(H,16,19)/t10-,14-/m1/s1
InChIKeyVRSHLGQKEPJQOU-QMTHXVAHSA-N
MW353.24 g/mol
LogP2.19
Rot. Bonds1

About (2'S,3S)-5-bromo-2'-(1,3-thiazolidine-3-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one

(2'S,3S)-5-bromo-2'-(1,3-thiazolidine-3-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956434) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is (2'S,3S)-5-bromo-2'-(1,3-thiazolidine-3-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3S)-5-bromo-2'-(1,3-thiazolidine-3-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956434
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC Name(2'S,3S)-5-bromo-2'-(1,3-thiazolidine-3-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C([C@H]1C[C@]12C(=O)Nc1ccc(Br)cc12)N1CCSC1
InChIInChI=1S/C14H13BrN2O2S/c15-8-1-2-11-9(5-8)14(13(19)16-11)6-10(14)12(18)17-3-4-20-7-17/h1-2,5,10H,3-4,6-7H2,(H,16,19)/t10-,14-/m1/s1
InChIKeyVRSHLGQKEPJQOU-QMTHXVAHSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2'S,3S)-5-bromo-2'-(1,3-thiazolidine-3-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-5-bromo-2'-(1,3-thiazolidine-3-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3S)-5-bromo-2'-(1,3-thiazolidine-3-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956434) is (2'S,3S)-5-bromo-2'-(1,3-thiazolidine-3-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3S)-5-bromo-2'-(1,3-thiazolidine-3-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3S)-5-bromo-2'-(1,3-thiazolidine-3-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one is O=C([C@H]1C[C@]12C(=O)Nc1ccc(Br)cc12)N1CCSC1.
What is the InChIKey of (2'S,3S)-5-bromo-2'-(1,3-thiazolidine-3-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is VRSHLGQKEPJQOU-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c15-8-1-2-11-9(5-8)14(13(19)16-11)6-10(14)12(18)17-3-4-20-7-17/h1-2,5,10H,3-4,6-7H2,(H,16,19)/t10-,14-/m1/s1.
What are the key properties of (2'S,3S)-5-bromo-2'-(1,3-thiazolidine-3-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3S)-5-bromo-2'-(1,3-thiazolidine-3-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 353.24 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-5-bromo-2'-(1,3-thiazolidine-3-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).